N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioylnaphthalene-1-carboxamide

Systemtic Name: N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioylnaphthalene-1-carboxamide Openeye Name: N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]naphthalene-1-carboxamide CAS Name: N-[[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinyl]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazine-1-carbothioyl]naphthalene-1-carboxamide Traditional Name: N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]-1-naphthamide Formula: C26H27N5O4S MolecularWeight: 505.58868

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=S)NC(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=S)NC(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C26H27N5O4S/c32-25(22-7-3-5-19-4-1-2-6-21(19)22)27-26(36)30-12-10-28(11-13-30)20-8-9-23(31(33)34)24(18-20)29-14-16-35-17-15-29/h1-9,18H,10-17H2,(H,27,32,36)